cyclododecylidene(hydroxy)azanium chloride

C12H24ClNO — CID 11253288

IUPACcyclododecylidene(hydroxy)azanium chloride
SMILESO[NH+]=C1CCCCCCCCCCC1.[Cl-]
InChIInChI=1S/C12H23NO.ClH/c14-13-12-10-8-6-4-2-1-3-5-7-9-11-12;/h14H,1-11H2;1H
InChIKeyXSIDCAOQNLRQEL-UHFFFAOYSA-N
MW233.78 g/mol
LogP-0.79
Rot. Bonds

About cyclododecylidene(hydroxy)azanium chloride

cyclododecylidene(hydroxy)azanium chloride (PubChem CID 11253288) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is cyclododecylidene(hydroxy)azanium chloride.

Molecular Properties

Compound Namecyclododecylidene(hydroxy)azanium chloride
PubChem CID11253288
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Namecyclododecylidene(hydroxy)azanium chloride
SMILESO[NH+]=C1CCCCCCCCCCC1.[Cl-]
InChIInChI=1S/C12H23NO.ClH/c14-13-12-10-8-6-4-2-1-3-5-7-9-11-12;/h14H,1-11H2;1H
InChIKeyXSIDCAOQNLRQEL-UHFFFAOYSA-N
XLogP-0.79
TPSA34.20 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclododecylidene(hydroxy)azanium chloride?
The IUPAC name of cyclododecylidene(hydroxy)azanium chloride (CID 11253288) is cyclododecylidene(hydroxy)azanium chloride.
What is the SMILES notation for cyclododecylidene(hydroxy)azanium chloride?
The canonical SMILES for cyclododecylidene(hydroxy)azanium chloride is O[NH+]=C1CCCCCCCCCCC1.[Cl-].
What is the InChIKey of cyclododecylidene(hydroxy)azanium chloride?
The InChIKey is XSIDCAOQNLRQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.ClH/c14-13-12-10-8-6-4-2-1-3-5-7-9-11-12;/h14H,1-11H2;1H.
What are the key properties of cyclododecylidene(hydroxy)azanium chloride?
cyclododecylidene(hydroxy)azanium chloride has a molecular weight of 233.78 g/mol, XLogP of -0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecylidene(hydroxy)azanium chloride is sourced from PubChem (CID 11253288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).